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CHEBI:172871 - 8-oxo-dATP(4−)

Default Structure
ChEBI IDCHEBI:172871
ChEBI Name8-oxo-dATP(4−)
Stars
ASCII Name8-oxo-dATP(4-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H12N5O13P3
Net Charge-4
Average Mass503.150
Monoisotopic Mass502.96664
SMILESNc1ncnc2c1nc(=O)n2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C10H16N5O13P3/c11-8-7-9(13-3-12-8)15(10(17)14-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,14,17)(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,5+,6+/m0/s1
InChIKeyKQEYPBIHTGDPHF-KVQBGUIXSA-J
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
8-oxo-dATP(4−) (CHEBI:172871) is a purine deoxyribonucleoside triphosphate (CHEBI:26389)
IUPAC Name 
({[(2R,3S,5R)-5-(6-amino-8-oxo-8,9-dihydro-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
UniProt Name  Source
8-oxo-dATPUniProt